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CHEBI:187660 - PA(22:0/18:0)

ChEBI IDCHEBI:187660
ChEBI NamePA(22:0/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H85O8P
Net Charge0
Average Mass761.119
Monoisotopic Mass760.59821
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H85O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h41H,3-40H2,1-2H3,(H2,46,47,48)/t41-/m1/s1
InChIKeyPYIXCAHGBMMWPK-VQJSHJPSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(22:0/18:0) (CHEBI:187660) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] docosanoate
Manual XrefsDatabases
74876986ChemSpider
HMDB0115246HMDB
LMGP10010846LIPID MAPS